3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one

C13H22N4O — CID 66182628

IUPAC3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
SMILESCCN(c1nccn(C(C)(C)C)c1=O)C1CNC1
InChIInChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyGNEAMKNWNWQLHB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds3

About 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one

3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 66182628) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
PubChem CID66182628
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
SMILESCCN(c1nccn(C(C)(C)C)c1=O)C1CNC1
InChIInChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3
InChIKeyGNEAMKNWNWQLHB-UHFFFAOYSA-N
XLogP0.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
CID 63644296
1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79704882
3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
CID 66216539
3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
CID 79111761
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 55155444
3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one
CID 63761014
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
CID 62939610
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623
3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
CID 79112198
3-[3-bromobutyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 113499996
1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
CID 62929010
1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
CID 66208089

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one (CID 66182628) is 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one is CCN(c1nccn(C(C)(C)C)c1=O)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is GNEAMKNWNWQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-16(10-8-14-9-10)11-12(18)17(7-6-15-11)13(2,3)4/h6-7,10,14H,5,8-9H2,1-4H3.
What are the key properties of 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one?
3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 66182628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).